SMILES:
CN(c1cc(Cl)ccc1F)C1COC2(CCN(Cc3cnc(Cl)s3)CC2)O1Molecular Processing
Molecular formula
C18H20Cl2FN3O2S
Molecular weight
432.35
Exact mass
431.0637
XLogP
4.39
TPSA
37.83
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
105
Supplementary Information
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